4-oxobutanoate   Click here for help

GtoPdb Ligand ID: 6608

Synonyms: succinate semialdehyde
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 57.2
Molecular weight 101.02
XLogP -0.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=CCCC(=O)[O-]
Isomeric SMILES O=CCCC(=O)[O-]
InChI InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1
InChI Key UIUJIQZEACWQSV-UHFFFAOYSA-M
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
4-aminobutyrate aminotransferase
aldehyde dehydrogenase 5 family member A1